SCHEMBL8059710

SCHEMBL8059710

C=CCN(Cc1ccccc1)c1nc(N)nc(N)n1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 3/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.38
RAB9A P51151 2/20 0.38
DHFR P00374 2/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.35
CYP2D6 P10635 1/20 0.35
NPC1 O15118 1/20 0.35
JAK2 O60674 1/20 0.35
POLB P06746 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
ADORA1 P30542 1/20 0.34
AOC3 Q16853 1/20 0.34
CYP2C19 P33261 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11292840 0.85 MAPT (0.50) NOS1MAPTSMN1; SMN2RAB9ADHFR
SCHEMBL20844355 0.80 MAPT (0.63) NOS1MAPTSMN1; SMN2RAB9ATSHR
SCHEMBL183766 0.79 CRHR1 (0.37) MAPT
Formaldehyde SCHEMBL8047178 0.76 CRHR1 (0.36) MAPT
SCHEMBL8064471 0.76 MAPT (0.45) MAPTSMN1; SMN2RAB9ADHFRTSHR
SCHEMBL2268526 0.75 MAPT (0.38) MAPT
SCHEMBL11214147 0.74 TSHR (0.42) RAB9AGAATSHRNPC1AOC3
SCHEMBL11362594 0.74 CYP2C19 (0.55) MAPTGAATSHRCYP2D6ADORA3
SCHEMBL9638033 0.74 TSHR (0.57) SMN1; SMN2RAB9AGAATSHRCYP2D6
SCHEMBL27567784 0.73 CRHR1 (0.31) MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6159331-A Method of using bridging agent for laminates FORMICA CORPORATION (US) 2000-12-12 US disclosed